2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid

C14H14ClNO3 — CID 82248913

IUPAC2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)c(CC(=O)O)c(C)n(C)c12
InChIInChI=1S/C14H14ClNO3/c1-7-4-9(15)5-11-13(7)16(3)8(2)10(14(11)19)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyGLQUGNIJSFJJJO-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.44
Rot. Bonds2

About 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid

2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid (PubChem CID 82248913) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
PubChem CID82248913
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
SMILESCc1cc(Cl)cc2c(=O)c(CC(=O)O)c(C)n(C)c12
InChIInChI=1S/C14H14ClNO3/c1-7-4-9(15)5-11-13(7)16(3)8(2)10(14(11)19)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18)
InChIKeyGLQUGNIJSFJJJO-UHFFFAOYSA-N
XLogP2.44
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82242835
2-(6-iodo-1,2-dimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82252954
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
CID 82497008
2-(4-chloro-2-iodo-6-methylphenyl)acetic acid
CID 86229802
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
2-[1,5,7-trimethyl-2-(trifluoromethyl)indol-3-yl]acetic acid
CID 84643491
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82250952
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
3-(7-chloro-1,2-dimethyl-4-oxoquinolin-3-yl)propanoic acid
CID 82248917
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
2-(4,7-dimethoxy-1,2-dimethylindol-3-yl)acetic acid
CID 82501280
2-[6,7-difluoro-1-(2-hydroxyethyl)-2-methyl-4-oxoquinolin-3-yl]acetic acid
CID 82251876

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid (CID 82248913) is 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid is Cc1cc(Cl)cc2c(=O)c(CC(=O)O)c(C)n(C)c12.
What is the InChIKey of 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid?
The InChIKey is GLQUGNIJSFJJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-7-4-9(15)5-11-13(7)16(3)8(2)10(14(11)19)6-12(17)18/h4-5H,6H2,1-3H3,(H,17,18).
What are the key properties of 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid?
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid has a molecular weight of 279.72 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid is sourced from PubChem (CID 82248913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).